Curriculum Vitae
PDFEducation
Experiences
Skills
Computational Chemistry & Biology
Atomistic and coarse-grained MD simulations, peptide and antibody binder design, Bayesian inference for data-driven structure determination of macromolecular complexes, effective generertion of in-silico insights from wet-lab experiments.
AI/ML
Data efficient ML models and FAIR-ready MLOps for protein property prediction, sampling from protein language models, Neural ODE models for systems biology.
ML and Molecular Modeling Tech stack
Scikit-learn, PyTorch, Lightning, TensorFlow-Probability, PyMC3, MLFlow, Hydra, Dask, Lux (Julia), Flux (Julia), OpenMM, LAMMPS, GROMACS, IMP